#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f1d s ARG 11 N 0.00 3.73 -0.10 1.61 0.52 -1.26 -5.00 118.95 118.45 2f1d s ARG 11 Ca 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 2f1d s ARG 11 Cb 0.00 -3.89 0.02 0.00 0.52 0.00 0.00 34.95 31.60 2f1d s ARG 11 CO 0.00 -1.30 -0.09 0.42 0.02 0.00 0.00 175.30 174.35 2f1d s ILE 12 N 4.25 1.07 -0.05 1.52 1.01 -1.26 -2.27 121.20 125.46 2f1d s ILE 12 Ca 0.46 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 2f1d s ILE 12 Cb -0.08 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2f1d s ILE 12 CO 0.29 0.36 0.09 -0.83 0.00 0.00 0.00 174.94 174.85 2f1d s GLY 13 N 1.35 2.04 -0.00 6.18 0.00 -1.05 -4.59 107.32 111.24 2f1d s GLY 13 Ca -0.02 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.93 2f1d s GLY 13 CO -0.04 -0.62 -0.06 1.85 0.00 0.00 0.00 173.10 174.23 2f1d s GLU 14 N -1.43 0.51 -0.12 2.90 2.12 -1.26 -2.74 118.70 118.68 2f1d s GLU 14 Ca 0.20 -0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.25 2f1d s GLU 14 Cb -0.12 -0.49 0.06 0.00 0.26 0.00 0.00 34.13 33.83 2f1d s GLU 14 CO 0.10 0.14 0.24 0.08 -0.54 0.00 0.00 175.26 175.28 2f1d s VAL 15 N -0.15 -0.32 0.09 3.70 1.01 -0.67 -4.89 120.40 119.17 2f1d s VAL 15 Ca 0.02 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.31 2f1d s VAL 15 Cb -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2f1d s VAL 15 CO -0.00 0.11 0.05 -1.59 0.00 0.00 0.00 175.10 173.66 2f1d s LYS 16 N 2.16 2.72 -0.25 2.72 0.00 -1.26 -0.98 119.74 124.85 2f1d s LYS 16 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 55.97 55.09 2f1d s LYS 16 Cb -0.12 -2.63 0.10 0.00 0.00 0.00 0.00 37.83 35.19 2f1d s LYS 16 CO -0.08 0.55 0.56 0.50 0.00 0.00 0.00 175.35 176.87 2f1d s ARG 17 N -2.42 0.50 -0.25 1.78 3.52 -0.48 -5.00 118.95 116.59 2f1d s ARG 17 Ca 0.28 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.12 2f1d s ARG 17 Cb -0.12 0.53 0.07 0.00 -1.56 0.00 0.00 34.95 33.88 2f1d s ARG 17 CO 0.20 -0.21 0.00 0.08 -0.81 0.00 0.00 175.30 174.57 2f1d s VAL 18 N 2.52 1.28 0.39 7.11 1.01 -1.26 -1.85 120.40 129.61 2f1d s VAL 18 Ca -0.05 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 60.76 2f1d s VAL 18 Cb -0.11 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2f1d s VAL 18 CO -0.17 -0.29 0.31 0.42 0.00 0.00 0.00 175.10 175.37 2f1d s THR 19 N 1.48 2.84 0.33 3.92 -4.23 -1.03 -5.02 115.64 113.93 2f1d s THR 19 Ca -0.00 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 2f1d s THR 19 Cb -0.18 -3.04 0.32 0.00 1.34 0.00 0.00 72.50 70.94 2f1d s THR 19 CO -0.10 -0.06 1.80 0.07 -0.54 0.00 0.00 174.62 175.79 2f1d h LYS 20 N 1.19 0.68 0.17 3.99 -0.00 -2.03 -2.90 116.57 117.68 2f1d h LYS 20 Ca -0.43 -0.04 -0.32 0.00 -0.00 0.00 0.00 60.65 59.87 2f1d h LYS 20 Cb 1.26 -0.15 0.01 0.00 -0.00 0.00 0.00 32.23 33.35 2f1d h LYS 20 CO 0.60 0.45 -1.50 0.93 -0.00 0.00 0.00 179.45 179.93 2f1d h GLU 21 N 0.70 0.37 -4.48 0.07 3.07 -1.97 -3.49 114.58 108.85 2f1d h GLU 21 Ca 0.54 -0.63 -0.18 0.00 -0.50 0.00 0.00 59.36 58.59 2f1d h GLU 21 Cb 0.92 0.23 -0.15 0.00 -0.84 0.00 0.00 28.75 28.91 2f1d h GLU 21 CO -0.31 1.27 -0.68 0.95 -1.40 0.00 0.00 179.01 178.84 2f1d s THR 22 N -2.61 0.44 -0.27 1.13 -4.23 -1.09 -3.60 115.64 105.41 2f1d s THR 22 Ca -0.09 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2f1d s THR 22 Cb 0.06 -1.70 0.08 0.00 1.34 0.00 0.00 72.50 72.28 2f1d s THR 22 CO 0.89 -0.84 0.07 0.21 -0.54 0.00 0.00 174.62 174.41 2f1d s ASN 23 N -3.01 3.69 -0.00 3.99 3.84 -0.37 -2.46 114.94 120.61 2f1d s ASN 23 Ca 0.13 -1.35 0.08 0.00 0.21 0.00 0.00 52.86 51.92 2f1d s ASN 23 Cb 0.07 -0.81 -0.02 0.00 -0.55 0.00 0.00 41.25 39.93 2f1d s ASN 23 CO -0.05 -0.37 -0.24 -0.69 -2.79 0.00 0.00 177.10 172.96 2f1d s VAL 24 N 1.67 2.28 -0.22 -5.21 1.01 -0.77 -2.21 120.40 116.95 2f1d s VAL 24 Ca 0.05 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 2f1d s VAL 24 Cb -0.17 -1.85 0.09 0.00 0.00 0.00 0.00 36.38 34.46 2f1d s VAL 24 CO -0.19 0.50 0.20 -0.55 0.00 0.00 0.00 175.10 175.06 2f1d s SER 25 N -0.86 1.91 -0.01 3.32 0.15 -0.61 -1.38 113.70 116.23 2f1d s SER 25 Ca 0.11 -0.53 0.07 0.00 0.70 0.00 0.00 55.95 56.29 2f1d s SER 25 Cb -0.10 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 2f1d s SER 25 CO 0.01 -0.36 -0.20 -0.69 1.20 0.00 0.00 173.24 173.20 2f1d s VAL 26 N 2.26 2.57 -0.11 4.45 1.01 -0.15 -1.38 120.40 129.06 2f1d s VAL 26 Ca 0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2f1d s VAL 26 Cb -0.16 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2f1d s VAL 26 CO -0.18 0.50 0.22 -0.54 0.00 0.00 0.00 175.10 175.09 2f1d s LYS 27 N -0.94 0.12 -0.07 2.72 1.02 -0.16 -1.67 119.74 120.76 2f1d s LYS 27 Ca 0.12 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.74 2f1d s LYS 27 Cb -0.10 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.10 2f1d s LYS 27 CO 0.01 -0.26 -0.06 0.42 -0.92 0.00 0.00 175.35 174.54 2f1d s ILE 28 N 2.08 0.77 -0.28 2.17 1.01 -1.11 -0.94 121.20 124.90 2f1d s ILE 28 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 2f1d s ILE 28 Cb -0.12 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.57 2f1d s ILE 28 CO -0.08 0.30 0.03 0.21 0.00 0.00 0.00 174.94 175.40 2f1d s ASN 29 N 1.28 4.84 0.46 3.58 3.84 -0.29 -2.53 114.94 126.13 2f1d s ASN 29 Ca -0.04 -0.76 0.24 0.00 0.21 0.00 0.00 52.86 52.51 2f1d s ASN 29 Cb -0.14 -1.80 1.12 0.00 -0.55 0.00 0.00 41.25 39.88 2f1d s ASN 29 CO -0.02 -0.17 1.92 -0.07 -2.79 0.00 0.00 177.10 175.97 2f1d h LEU 30 N 8.15 0.00 -3.88 3.21 3.38 -1.77 -2.44 115.31 121.96 2f1d h LEU 30 Ca -0.32 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.03 2f1d h LEU 30 Cb 1.12 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.51 2f1d h LEU 30 CO 0.59 0.21 0.08 0.47 0.09 0.00 0.00 178.44 179.88 2f1d n ASP 31 N -3.56 6.41 -2.85 -0.43 8.00 -1.26 -4.74 116.55 118.12 2f1d n ASP 31 Ca -0.01 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.72 2f1d n ASP 31 Cb 0.35 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2f1d n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f1d n GLY 32 N -0.82 -0.67 0.00 0.44 0.00 -1.11 -4.98 105.19 98.05 2f1d n GLY 32 Ca 0.54 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2f1d n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f1d n THR 33 N -0.09 0.00 0.00 2.61 -2.24 -1.25 -4.79 114.28 108.52 2f1d n THR 33 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2f1d n THR 33 Cb 0.00 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2f1d n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f1d n GLY 34 N 0.81 1.87 3.55 3.38 0.00 -1.24 -4.94 105.19 108.62 2f1d n GLY 34 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2f1d n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f1d s VAL 35 N -2.00 4.61 -0.24 1.61 1.01 -1.16 -4.39 120.40 119.83 2f1d s VAL 35 Ca 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 62.46 2f1d s VAL 35 Cb 0.00 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2f1d s VAL 35 CO 0.00 -0.72 0.11 0.00 0.00 0.00 0.00 175.10 174.49 2f1d s ALA 36 N 3.41 3.35 -0.44 5.51 0.00 -1.26 0.17 121.76 132.50 2f1d s ALA 36 Ca 0.32 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2f1d s ALA 36 Cb -0.12 -2.18 0.20 0.00 0.00 0.00 0.00 23.12 21.02 2f1d s ALA 36 CO 0.23 -0.35 0.53 -3.47 0.00 0.00 0.00 175.76 172.71 2f1d n ASP 37 N 4.63 -1.21 -4.04 0.00 4.64 -0.50 -5.01 116.55 115.06 2f1d n ASP 37 Ca -0.15 -2.68 -0.26 0.00 -1.38 0.00 0.00 54.79 50.31 2f1d n ASP 37 Cb 0.52 0.18 -0.17 0.00 -1.04 0.00 0.00 41.12 40.61 2f1d n ASP 37 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2f1d s SER 38 N -0.33 2.10 -0.24 1.67 0.01 -1.26 -2.39 113.70 113.26 2f1d s SER 38 Ca 0.33 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.20 2f1d s SER 38 Cb 0.09 -0.95 0.11 0.00 0.21 0.00 0.00 66.02 65.48 2f1d s SER 38 CO -0.15 0.03 0.22 -0.55 0.41 0.00 0.00 173.24 173.20 2f1d s SER 39 N 0.79 1.81 0.00 2.44 0.15 -1.14 -4.89 113.70 112.87 2f1d s SER 39 Ca -0.12 -0.55 0.02 0.00 0.70 0.00 0.00 55.95 56.00 2f1d s SER 39 Cb -0.16 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 2f1d s SER 39 CO 0.02 -0.36 0.09 -1.54 1.20 0.00 0.00 173.24 172.65 2f1d n SER 40 N 5.31 0.11 0.00 5.45 3.41 -1.26 -2.61 113.62 124.02 2f1d n SER 40 Ca -0.05 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2f1d n SER 40 Cb 0.47 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 2f1d n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f1d n GLY 41 N 1.02 0.74 3.06 5.00 0.00 -1.26 -4.54 105.19 109.21 2f1d n GLY 41 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2f1d n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f1d s ILE 42 N -2.65 3.10 0.29 -0.61 1.01 -1.26 -5.01 121.20 116.07 2f1d s ILE 42 Ca 0.00 -2.61 0.04 0.00 0.00 0.00 0.00 60.65 58.08 2f1d s ILE 42 Cb 0.00 -3.12 0.29 0.00 0.01 0.00 0.00 42.46 39.64 2f1d s ILE 42 CO 0.00 -0.75 1.79 -0.65 0.00 0.00 0.00 174.94 175.33 2f1d h PRO 43 N 7.38 0.77 -0.25 2.79 0.11 -2.00 -1.61 132.00 139.20 2f1d h PRO 43 Ca -0.07 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 2f1d h PRO 43 Cb 0.99 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2f1d h PRO 43 CO 0.67 0.51 -0.09 0.35 -0.21 0.00 0.00 178.00 179.23 2f1d h PHE 44 N 0.80 0.57 -0.13 0.65 3.57 -1.95 -2.64 116.94 117.81 2f1d h PHE 44 Ca 0.55 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 2f1d h PHE 44 Cb 0.79 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2f1d h PHE 44 CO -0.01 0.75 -0.03 1.25 -2.23 0.00 0.00 178.31 178.03 2f1d h LEU 45 N 0.24 0.17 -0.38 0.59 5.85 -1.87 -2.08 115.31 117.82 2f1d h LEU 45 Ca 0.06 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2f1d h LEU 45 Cb 0.58 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2f1d h LEU 45 CO 0.03 0.24 -0.07 0.44 -0.34 0.00 0.00 178.44 178.74 2f1d h ASP 46 N 0.18 0.72 -0.31 1.25 3.32 -1.17 -0.71 116.42 119.70 2f1d h ASP 46 Ca 0.04 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 2f1d h ASP 46 Cb 0.19 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2f1d h ASP 46 CO 0.01 0.90 0.13 -0.74 -1.72 0.00 0.00 179.24 177.82 2f1d h HIS 47 N 0.52 0.53 -0.05 4.55 2.76 -1.07 -1.91 115.15 120.48 2f1d h HIS 47 Ca 0.10 -0.02 -0.24 0.00 -2.20 0.00 0.00 60.37 58.01 2f1d h HIS 47 Cb 0.57 -0.17 0.01 0.00 1.55 0.00 0.00 27.41 29.38 2f1d h HIS 47 CO 0.05 0.43 -0.92 0.52 -1.30 0.00 0.00 177.93 176.71 2f1d h MET 48 N 0.53 0.63 0.00 5.26 2.86 -1.05 -2.88 114.93 120.29 2f1d h MET 48 Ca 0.13 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2f1d h MET 48 Cb 0.14 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2f1d h MET 48 CO -0.01 1.22 0.00 1.28 1.06 0.00 0.00 176.91 180.46 2f1d n LEU 49 N -3.85 0.43 0.06 1.22 4.77 -0.30 -1.73 117.00 117.59 2f1d n LEU 49 Ca -0.08 0.60 0.03 0.00 -0.03 0.00 0.00 56.01 56.53 2f1d n LEU 49 Cb 0.82 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2f1d n LEU 49 CO 0.53 -0.43 -0.15 0.44 -1.33 0.00 0.00 177.39 176.45 2f1d h ASP 50 N 0.00 0.00 0.02 -1.43 3.32 -1.19 -3.10 116.42 114.03 2f1d h ASP 50 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2f1d h ASP 50 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2f1d h ASP 50 CO 0.00 0.44 -0.35 1.56 -1.72 0.00 0.00 179.24 179.17 2f1d h GLN 51 N 0.00 0.46 -0.40 3.56 1.08 -1.13 -1.41 115.11 117.26 2f1d h GLN 51 Ca -0.11 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 2f1d h GLN 51 Cb 1.43 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.84 2f1d h GLN 51 CO 0.04 0.75 0.23 1.25 -0.95 0.00 0.00 178.83 180.14 2f1d h LEU 52 N 0.39 0.50 0.23 1.46 5.85 -1.45 -2.46 115.31 119.83 2f1d h LEU 52 Ca 0.04 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2f1d h LEU 52 Cb 0.79 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2f1d h LEU 52 CO 0.06 0.44 -0.11 0.00 -0.34 0.00 0.00 178.44 178.49 2f1d h ALA 53 N 1.08 -0.31 0.00 1.25 0.00 -1.54 -1.99 119.26 117.75 2f1d h ALA 53 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2f1d h ALA 53 Cb 0.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2f1d h ALA 53 CO -0.02 -0.38 -0.00 1.03 0.00 0.00 0.00 179.25 179.88 2f1d h SER 54 N -0.90 0.00 0.00 0.00 0.87 -1.27 -1.04 113.55 111.21 2f1d h SER 54 Ca -0.03 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2f1d h SER 54 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2f1d h SER 54 CO 0.05 0.00 -1.37 1.41 -0.53 0.00 0.00 176.83 176.40 2f1d n HIS 55 N -3.43 0.00 1.17 2.24 8.25 -0.93 -4.45 115.22 118.07 2f1d n HIS 55 Ca -0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.56 2f1d n HIS 55 Cb 0.08 -0.23 0.30 0.00 1.12 0.00 0.00 29.99 31.27 2f1d n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f1d n GLY 56 N 2.33 -0.66 4.15 -1.41 0.00 -0.75 -4.33 105.19 104.52 2f1d n GLY 56 Ca -0.05 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2f1d n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f1d n LEU 57 N -0.75 -1.78 -4.88 0.99 4.77 -0.41 -4.76 117.00 110.17 2f1d n LEU 57 Ca 0.11 -1.04 -0.33 0.00 -0.03 0.00 0.00 56.01 54.72 2f1d n LEU 57 Cb 0.36 -2.07 -0.05 0.00 -2.33 0.00 0.00 43.42 39.33 2f1d n LEU 57 CO 0.28 0.35 0.08 -0.36 -1.33 0.00 0.00 177.39 176.41 2f1d s PHE 58 N -3.62 3.50 -0.21 -1.77 2.99 -1.13 -2.73 117.98 115.01 2f1d s PHE 58 Ca 0.43 0.69 -0.19 0.00 0.00 0.00 0.00 56.93 57.86 2f1d s PHE 58 Cb -0.23 -2.11 -0.03 0.00 0.00 0.00 0.00 43.02 40.65 2f1d s PHE 58 CO 0.93 0.43 0.54 -0.51 -0.00 0.00 0.00 175.22 176.61 2f1d s ASP 59 N -2.19 6.58 -0.09 1.36 1.01 -0.92 -3.01 116.67 119.40 2f1d s ASP 59 Ca 0.40 0.70 0.03 0.00 0.71 0.00 0.00 52.55 54.38 2f1d s ASP 59 Cb -0.13 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.51 2f1d s ASP 59 CO 0.22 -0.21 -0.19 -0.69 0.21 0.00 0.00 175.17 174.51 2f1d s VAL 60 N 1.77 1.69 -0.30 -1.27 1.01 0.13 -1.14 120.40 122.28 2f1d s VAL 60 Ca 0.25 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2f1d s VAL 60 Cb -0.16 -1.49 0.10 0.00 0.00 0.00 0.00 36.38 34.83 2f1d s VAL 60 CO 0.10 0.48 0.10 -2.28 0.00 0.00 0.00 175.10 173.50 2f1d s HIS 61 N 0.56 1.33 0.03 5.22 5.04 -0.12 -1.42 115.29 125.93 2f1d s HIS 61 Ca -0.15 -1.47 0.03 0.00 -1.54 0.00 0.00 55.06 51.93 2f1d s HIS 61 Cb -0.17 -1.47 -0.04 0.00 0.04 0.00 0.00 32.58 30.94 2f1d s HIS 61 CO 0.05 -0.85 -0.03 0.08 -2.34 0.00 0.00 174.74 171.65 2f1d s VAL 62 N 1.75 3.87 -0.16 0.89 1.01 -1.00 -0.99 120.40 125.77 2f1d s VAL 62 Ca 0.09 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2f1d s VAL 62 Cb -0.17 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.54 2f1d s VAL 62 CO -0.27 0.31 0.33 -0.60 0.00 0.00 0.00 175.10 174.87 2f1d s ARG 63 N -1.70 0.24 0.00 2.72 6.06 -0.48 -2.87 118.95 122.92 2f1d s ARG 63 Ca 0.20 0.84 -0.14 0.00 -2.50 0.00 0.00 55.73 54.13 2f1d s ARG 63 Cb -0.11 0.09 0.02 0.00 0.06 0.00 0.00 34.95 35.01 2f1d s ARG 63 CO 0.11 -0.25 0.28 0.00 -2.50 0.00 0.00 175.30 172.94 2f1d s ALA 64 N 2.30 -0.69 -0.05 6.12 0.00 -1.07 -1.57 121.76 126.79 2f1d s ALA 64 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 2f1d s ALA 64 Cb -0.12 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.16 2f1d s ALA 64 CO -0.10 -0.28 0.02 0.95 0.00 0.00 0.00 175.76 176.35 2f1d s THR 65 N -1.60 0.15 0.00 0.00 -4.23 -0.94 -4.40 115.64 104.62 2f1d s THR 65 Ca -0.12 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2f1d s THR 65 Cb -0.05 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.46 2f1d s THR 65 CO 0.02 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 2f1d n GLY 66 N 4.98 4.92 1.72 3.99 0.00 -1.26 -1.23 105.19 118.32 2f1d n GLY 66 Ca -0.10 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 2f1d n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f1d n ASP 67 N 0.00 5.85 -0.35 1.61 10.43 -1.24 -4.66 116.55 128.19 2f1d n ASP 67 Ca 0.00 -2.71 0.28 0.00 2.57 0.00 0.00 54.79 54.93 2f1d n ASP 67 Cb 0.00 -1.12 0.58 0.00 1.84 0.00 0.00 41.12 42.42 2f1d n ASP 67 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 2f1d h VAL 68 N 1.09 0.42 -0.75 2.53 2.07 -1.94 0.24 116.25 119.91 2f1d h VAL 68 Ca 0.14 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.65 2f1d h VAL 68 Cb 0.98 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2f1d h VAL 68 CO 0.36 0.05 0.49 1.12 0.02 0.00 0.00 177.57 179.61 2f1d h HIS 69 N 0.26 0.75 0.00 1.57 2.07 -2.01 -3.02 115.15 114.78 2f1d h HIS 69 Ca 0.63 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 58.17 2f1d h HIS 69 Cb 1.85 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 31.59 2f1d h HIS 69 CO -0.00 0.37 -0.01 0.82 -3.07 0.00 0.00 177.93 176.04 2f1d h ILE 70 N 0.72 1.64 -1.70 6.12 2.04 -0.92 -3.50 117.51 121.91 2f1d h ILE 70 Ca 0.34 -1.89 0.28 0.00 1.00 0.00 0.00 64.86 64.58 2f1d h ILE 70 Cb 0.37 2.93 -0.11 0.00 -0.74 0.00 0.00 36.82 39.26 2f1d h ILE 70 CO -0.12 0.49 0.73 -0.62 0.00 0.00 0.00 178.15 178.63 2f1d s ASP 71 N -6.03 -0.10 0.00 1.72 -1.08 -1.08 -5.02 116.67 105.08 2f1d s ASP 71 Ca -0.18 -0.20 0.25 0.00 -0.52 0.00 0.00 52.55 51.91 2f1d s ASP 71 Cb -0.01 0.25 0.58 0.00 -1.46 0.00 0.00 42.92 42.28 2f1d s ASP 71 CO 0.69 -0.46 1.45 0.47 0.52 0.00 0.00 175.17 177.84 2f1d n ASP 72 N -0.46 1.15 -0.18 -0.34 8.00 -1.26 -3.53 116.55 119.93 2f1d n ASP 72 Ca -0.07 -0.94 -0.03 0.00 0.71 0.00 0.00 54.79 54.45 2f1d n ASP 72 Cb 0.62 0.23 0.07 0.00 -0.02 0.00 0.00 41.12 42.02 2f1d n ASP 72 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2f1d h HIS 73 N 1.28 0.45 -0.10 1.24 2.76 -1.95 0.11 115.15 118.93 2f1d h HIS 73 Ca 0.00 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 57.98 2f1d h HIS 73 Cb 0.55 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 29.39 2f1d h HIS 73 CO 0.00 0.19 -0.80 0.45 -1.30 0.00 0.00 177.93 176.47 2f1d h HIS 74 N 0.48 0.87 -0.13 5.26 3.86 -1.94 -0.73 115.15 122.82 2f1d h HIS 74 Ca 0.25 -0.40 -0.10 0.00 -1.16 0.00 0.00 60.37 58.95 2f1d h HIS 74 Cb 0.20 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2f1d h HIS 74 CO -0.12 1.21 -0.32 1.15 0.86 0.00 0.00 177.93 180.71 2f1d h THR 75 N 0.42 1.37 -0.32 2.45 2.02 -1.79 -2.01 112.91 115.05 2f1d h THR 75 Ca -0.06 -1.61 0.06 0.00 0.77 0.00 0.00 66.41 65.58 2f1d h THR 75 Cb 1.42 2.06 -0.08 0.00 -1.74 0.00 0.00 68.15 69.81 2f1d h THR 75 CO 0.15 0.48 -0.41 -1.13 0.37 0.00 0.00 175.52 174.98 2f1d h ASN 76 N 0.05 -1.35 0.04 4.18 -0.73 -0.81 -2.54 115.58 114.42 2f1d h ASN 76 Ca -0.00 0.20 0.02 0.00 1.87 0.00 0.00 56.30 58.39 2f1d h ASN 76 Cb 0.93 0.58 -0.03 0.00 0.27 0.00 0.00 38.32 40.07 2f1d h ASN 76 CO 0.07 -0.38 -0.16 -0.08 -0.37 0.00 0.00 177.43 176.51 2f1d h GLU 77 N -0.37 -0.27 -0.08 6.67 4.81 -1.01 -2.59 114.58 121.74 2f1d h GLU 77 Ca 0.12 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 2f1d h GLU 77 Cb 0.59 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2f1d h GLU 77 CO -0.52 -0.18 -0.55 -0.44 -0.73 0.00 0.00 179.01 176.60 2f1d h ASP 78 N -0.28 0.27 -0.41 1.04 3.32 -1.34 -1.47 116.42 117.54 2f1d h ASP 78 Ca 0.04 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2f1d h ASP 78 Cb 0.33 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2f1d h ASP 78 CO -0.13 0.76 0.23 0.40 -1.72 0.00 0.00 179.24 178.79 2f1d h ILE 79 N 0.19 1.15 -0.76 0.35 2.04 -1.41 -2.26 117.51 116.81 2f1d h ILE 79 Ca 0.00 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 2f1d h ILE 79 Cb 1.02 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2f1d h ILE 79 CO 0.08 0.15 0.31 0.00 0.00 0.00 0.00 178.15 178.69 2f1d h ALA 80 N 1.09 1.11 -0.01 1.87 0.00 -1.01 0.55 119.26 122.86 2f1d h ALA 80 Ca 0.15 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2f1d h ALA 80 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2f1d h ALA 80 CO -0.02 0.64 -0.56 -0.07 0.00 0.00 0.00 179.25 179.23 2f1d h LEU 81 N 1.10 0.02 -0.02 0.00 3.38 -1.19 -1.95 115.31 116.65 2f1d h LEU 81 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2f1d h LEU 81 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2f1d h LEU 81 CO -0.02 0.58 -0.06 0.00 0.09 0.00 0.00 178.44 179.02 2f1d h ALA 82 N 1.42 0.03 -0.78 1.53 0.00 -0.79 -2.44 119.26 118.23 2f1d h ALA 82 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2f1d h ALA 82 Cb 1.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2f1d h ALA 82 CO 0.07 -0.11 0.51 0.82 0.00 0.00 0.00 179.25 180.55 2f1d h ILE 83 N -0.53 1.04 -0.19 0.00 2.04 -0.79 0.27 117.51 119.35 2f1d h ILE 83 Ca -0.00 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 2f1d h ILE 83 Cb 0.69 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2f1d h ILE 83 CO 0.01 0.15 -0.52 1.23 0.00 0.00 0.00 178.15 179.03 2f1d h GLY 84 N 0.84 0.58 1.52 5.37 0.00 -1.36 -2.35 103.07 107.67 2f1d h GLY 84 Ca 0.34 -0.65 -0.18 0.00 0.00 0.00 0.00 47.33 46.84 2f1d h GLY 84 CO -0.12 0.59 -0.66 -0.84 0.00 0.00 0.00 176.54 175.51 2f1d h THR 85 N 0.41 1.35 -0.22 4.70 2.02 -0.78 -3.11 112.91 117.28 2f1d h THR 85 Ca 0.01 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.15 2f1d h THR 85 Cb 1.05 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 2f1d h THR 85 CO 0.10 0.61 -0.09 0.00 0.37 0.00 0.00 175.52 176.50 2f1d h ALA 86 N 0.93 1.43 -0.28 6.16 0.00 -0.37 -2.34 119.26 124.78 2f1d h ALA 86 Ca -0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2f1d h ALA 86 Cb 1.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2f1d h ALA 86 CO 0.12 0.40 -0.31 1.25 0.00 0.00 0.00 179.25 180.71 2f1d h LEU 87 N 0.34 0.61 -0.02 0.00 5.85 -1.36 -2.75 115.31 117.98 2f1d h LEU 87 Ca 0.07 -0.24 -0.25 0.00 0.84 0.00 0.00 57.88 58.31 2f1d h LEU 87 Cb 0.38 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2f1d h LEU 87 CO 0.02 0.89 -1.10 0.25 -0.34 0.00 0.00 178.44 178.16 2f1d h LEU 88 N 0.51 0.38 -0.61 2.25 5.85 -1.38 -1.96 115.31 120.35 2f1d h LEU 88 Ca 0.06 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.42 2f1d h LEU 88 Cb 0.79 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2f1d h LEU 88 CO 0.06 1.24 0.40 0.11 -0.34 0.00 0.00 178.44 179.91 2f1d h LYS 89 N 0.11 0.79 -0.00 1.25 1.57 -1.55 -3.12 116.57 115.62 2f1d h LYS 89 Ca -0.10 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2f1d h LYS 89 Cb 1.79 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.93 2f1d h LYS 89 CO 0.18 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.58 2f1d h ALA 90 N 1.23 0.00 0.00 3.86 0.00 -1.24 -2.80 119.26 120.31 2f1d h ALA 90 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2f1d h ALA 90 Cb -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2f1d h ALA 90 CO -0.06 -0.42 -0.12 -0.07 0.00 0.00 0.00 179.25 178.58 2f1d h LEU 91 N -0.14 0.00 0.00 0.00 3.38 -1.45 -3.43 115.31 113.67 2f1d h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f1d h LEU 91 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2f1d h LEU 91 CO -0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 2f1d n GLY 92 N -1.18 2.89 0.26 0.83 0.00 -1.06 -1.41 105.19 105.53 2f1d n GLY 92 Ca -0.03 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2f1d n GLY 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2f1d h GLU 93 N 0.00 0.00 -1.09 1.61 -0.00 -1.90 -3.47 114.58 109.73 2f1d h GLU 93 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.11 2f1d h GLU 93 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 28.69 2f1d h GLU 93 CO 0.00 0.12 -0.27 0.54 -0.00 0.00 0.00 179.01 179.40 2f1d n ARG 94 N -3.51 -0.91 -2.75 1.06 1.74 -0.50 -4.97 116.66 106.83 2f1d n ARG 94 Ca -0.01 0.78 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 2f1d n ARG 94 Cb 0.26 -4.87 -0.03 0.00 -1.02 0.00 0.00 32.46 26.79 2f1d n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2f1d s LYS 95 N -3.72 4.58 -1.40 5.56 -0.14 -1.26 -4.05 119.74 119.30 2f1d s LYS 95 Ca 0.00 1.38 0.00 0.00 -1.36 0.00 0.00 55.97 55.99 2f1d s LYS 95 Cb 0.00 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 2f1d s LYS 95 CO 0.00 0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.02 2f1d n GLY 96 N 2.77 0.22 3.96 -3.33 0.00 -1.26 -5.02 105.19 102.52 2f1d n GLY 96 Ca 0.04 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 2f1d n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f1d s ILE 97 N -2.72 3.63 0.28 -0.61 -4.36 -1.26 -2.27 121.20 113.90 2f1d s ILE 97 Ca 0.00 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 2f1d s ILE 97 Cb 0.00 -3.25 0.09 0.00 1.25 0.00 0.00 42.46 40.55 2f1d s ILE 97 CO 0.00 -0.12 1.75 0.78 0.24 0.00 0.00 174.94 177.59 2f1d h ASN 98 N 0.93 0.54 0.00 4.36 2.35 -1.15 -3.42 115.58 119.20 2f1d h ASN 98 Ca -0.44 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 2f1d h ASN 98 Cb 1.26 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2f1d h ASN 98 CO 0.53 0.73 0.00 0.54 -1.65 0.00 0.00 177.43 177.58 2f1d n ARG 99 N -4.16 0.00 -4.40 0.81 1.74 -0.79 -4.91 116.66 104.95 2f1d n ARG 99 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 2f1d n ARG 99 Cb 0.36 -0.51 -0.12 0.00 -1.02 0.00 0.00 32.46 31.18 2f1d n ARG 99 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2f1d s PHE 100 N 0.00 3.04 0.15 -1.55 0.40 -1.26 -1.50 117.98 117.27 2f1d s PHE 100 Ca 0.00 -0.18 0.09 0.00 -0.60 0.00 0.00 56.93 56.24 2f1d s PHE 100 Cb 0.00 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2f1d s PHE 100 CO 0.00 0.08 -0.14 0.20 0.70 0.00 0.00 175.22 176.06 2f1d s GLY 101 N 0.08 1.72 -0.30 4.36 0.00 0.20 -3.78 107.32 109.60 2f1d s GLY 101 Ca 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.26 2f1d s GLY 101 CO 0.03 -1.42 0.70 -0.35 0.00 0.00 0.00 173.10 172.05 2f1d s ASP 102 N -2.51 -1.18 -0.13 1.64 2.15 -1.26 -1.52 116.67 113.86 2f1d s ASP 102 Ca 0.22 0.79 -0.07 0.00 0.43 0.00 0.00 52.55 53.92 2f1d s ASP 102 Cb -0.10 2.01 0.05 0.00 -0.30 0.00 0.00 42.92 44.59 2f1d s ASP 102 CO 0.13 -0.22 0.31 0.12 -0.17 0.00 0.00 175.17 175.34 2f1d s PHE 103 N 2.87 -0.44 -0.16 -5.34 5.36 -0.71 -4.89 117.98 114.68 2f1d s PHE 103 Ca 0.15 0.98 -0.09 0.00 -0.96 0.00 0.00 56.93 57.02 2f1d s PHE 103 Cb -0.14 0.14 -0.05 0.00 -0.34 0.00 0.00 43.02 42.64 2f1d s PHE 103 CO -0.19 -0.27 0.15 0.99 -1.46 0.00 0.00 175.22 174.44 2f1d s THR 104 N 1.21 5.45 -0.06 0.12 2.01 -1.26 -1.55 115.64 121.56 2f1d s THR 104 Ca -0.09 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 2f1d s THR 104 Cb -0.09 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.00 2f1d s THR 104 CO -0.09 0.53 0.01 0.00 -0.69 0.00 0.00 174.62 174.37 2f1d s ALA 105 N -0.33 0.55 0.25 7.40 0.00 -0.48 -4.96 121.76 124.20 2f1d s ALA 105 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 2f1d s ALA 105 Cb -0.12 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 2f1d s ALA 105 CO 0.01 -0.35 0.52 -1.25 0.00 0.00 0.00 175.76 174.70 2f1d s PRO 106 N 1.73 3.66 -0.30 0.00 0.04 -1.26 -1.95 135.00 136.93 2f1d s PRO 106 Ca 0.01 0.04 -0.02 0.00 0.04 0.00 0.00 61.00 61.07 2f1d s PRO 106 Cb -0.13 -2.68 0.12 0.00 0.04 0.00 0.00 34.50 31.85 2f1d s PRO 106 CO -0.04 0.28 0.21 -1.17 0.04 0.00 0.00 177.00 176.32 2f1d s LEU 107 N -3.27 0.25 0.00 -3.56 2.96 -0.93 -4.95 118.68 109.18 2f1d s LEU 107 Ca 0.44 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 2f1d s LEU 107 Cb -0.11 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.59 2f1d s LEU 107 CO 0.27 -0.40 0.00 0.47 -1.32 0.00 0.00 176.35 175.37 2f1d n ASP 108 N 5.12 0.00 0.00 3.68 9.92 -1.26 -2.07 116.55 131.94 2f1d n ASP 108 Ca -0.02 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.35 2f1d n ASP 108 Cb 0.43 0.00 0.54 0.00 -0.64 0.00 0.00 41.12 41.45 2f1d n ASP 108 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2f1d n GLU 109 N 13.46 0.15 -3.54 -1.24 0.00 -1.26 -4.85 120.64 123.36 2f1d n GLU 109 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 57.16 56.94 2f1d n GLU 109 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.90 2f1d n GLU 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2f1d s ALA 110 N -2.81 3.70 -0.27 -1.84 0.00 -0.88 -3.41 121.76 116.26 2f1d s ALA 110 Ca 0.16 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2f1d s ALA 110 Cb 0.15 -2.23 0.15 0.00 0.00 0.00 0.00 23.12 21.19 2f1d s ALA 110 CO 0.39 0.53 0.52 -1.17 0.00 0.00 0.00 175.76 176.03 2f1d s LEU 111 N -2.92 -1.01 -0.09 0.00 2.96 -0.86 -2.20 118.68 114.56 2f1d s LEU 111 Ca 0.43 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 2f1d s LEU 111 Cb -0.11 1.77 0.02 0.00 0.50 0.00 0.00 46.19 48.36 2f1d s LEU 111 CO 0.25 -0.26 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.26 2f1d s ILE 112 N 2.74 1.29 -0.23 6.68 -1.09 -0.82 -1.37 121.20 128.40 2f1d s ILE 112 Ca 0.10 -0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 57.89 2f1d s ILE 112 Cb -0.14 -1.20 -0.05 0.00 -1.58 0.00 0.00 42.46 39.50 2f1d s ILE 112 CO -0.18 0.40 0.14 -2.28 -1.23 0.00 0.00 174.94 171.79 2f1d s HIS 113 N 0.96 3.30 -0.15 3.97 5.65 -0.15 -1.38 115.29 127.49 2f1d s HIS 113 Ca -0.08 0.18 0.01 0.00 0.25 0.00 0.00 55.06 55.42 2f1d s HIS 113 Cb -0.15 -2.24 0.00 0.00 -1.18 0.00 0.00 32.58 29.02 2f1d s HIS 113 CO -0.00 0.07 -0.18 0.08 -0.65 0.00 0.00 174.74 174.06 2f1d s VAL 114 N 0.96 2.40 -0.09 0.89 1.01 -0.59 -0.71 120.40 124.26 2f1d s VAL 114 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2f1d s VAL 114 Cb -0.13 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2f1d s VAL 114 CO 0.03 0.53 -0.16 -0.55 0.00 0.00 0.00 175.10 174.95 2f1d s SER 115 N 0.84 2.38 0.05 3.32 0.15 -0.47 -1.74 113.70 118.22 2f1d s SER 115 Ca -0.05 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 2f1d s SER 115 Cb -0.15 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.04 2f1d s SER 115 CO -0.01 0.05 -0.02 -1.48 1.20 0.00 0.00 173.24 172.98 2f1d s LEU 116 N 0.76 2.41 -0.11 3.45 0.05 -0.58 -1.04 118.68 123.62 2f1d s LEU 116 Ca -0.11 -0.90 -0.05 0.00 0.05 0.00 0.00 54.13 53.12 2f1d s LEU 116 Cb -0.16 0.22 0.05 0.00 -2.05 0.00 0.00 46.19 44.25 2f1d s LEU 116 CO 0.02 -0.55 0.23 -0.62 -0.55 0.00 0.00 176.35 174.88 2f1d s ASP 117 N -2.67 0.07 -1.12 1.48 2.15 -0.29 -0.63 116.67 115.66 2f1d s ASP 117 Ca 0.03 0.50 -0.16 0.00 0.43 0.00 0.00 52.55 53.35 2f1d s ASP 117 Cb 0.05 0.46 0.15 0.00 -0.30 0.00 0.00 42.92 43.27 2f1d s ASP 117 CO -0.08 -0.20 1.37 -0.76 -0.17 0.00 0.00 175.17 175.33 2f1d s LEU 118 N 1.74 4.89 -0.01 -1.34 1.43 -0.56 -1.34 118.68 123.49 2f1d s LEU 118 Ca -0.05 -2.61 0.16 0.00 -1.03 0.00 0.00 54.13 50.61 2f1d s LEU 118 Cb -0.11 -2.42 -0.22 0.00 0.03 0.00 0.00 46.19 43.47 2f1d s LEU 118 CO -0.08 -0.91 0.46 -1.54 0.23 0.00 0.00 176.35 174.52 2f1d n SER 119 N 6.27 1.13 0.00 2.29 3.41 -1.14 -4.98 113.62 120.60 2f1d n SER 119 Ca 0.34 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2f1d n SER 119 Cb 0.45 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.85 2f1d n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f1d n GLY 120 N 1.51 0.72 2.82 5.00 0.00 0.54 -5.03 105.19 110.75 2f1d n GLY 120 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2f1d n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f1d s ARG 121 N -0.18 1.00 0.13 1.61 0.52 -1.14 -4.88 118.95 116.01 2f1d s ARG 121 Ca 0.00 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 2f1d s ARG 121 Cb 0.00 -1.72 -0.06 0.00 0.52 0.00 0.00 34.95 33.69 2f1d s ARG 121 CO 0.00 -0.44 0.96 -1.25 0.02 0.00 0.00 175.30 174.59 2f1d s PRO 122 N 1.79 4.73 -0.16 3.54 0.04 -1.26 -3.65 135.00 140.03 2f1d s PRO 122 Ca 0.02 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2f1d s PRO 122 Cb -0.15 -3.36 0.05 0.00 0.04 0.00 0.00 34.50 31.09 2f1d s PRO 122 CO -0.07 0.27 0.40 -0.47 0.04 0.00 0.00 177.00 177.17 2f1d s TYR 123 N -0.21 -0.54 -0.20 0.56 5.04 -0.91 -4.92 117.35 116.16 2f1d s TYR 123 Ca 0.46 1.20 -0.03 0.00 -2.44 0.00 0.00 57.07 56.26 2f1d s TYR 123 Cb -0.24 0.22 -0.00 0.00 0.35 0.00 0.00 41.96 42.28 2f1d s TYR 123 CO 0.30 -0.29 -0.08 -1.17 -1.34 0.00 0.00 175.55 172.97 2f1d s LEU 124 N 0.96 2.76 -0.36 6.97 2.96 -1.26 -0.60 118.68 130.11 2f1d s LEU 124 Ca -0.06 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 2f1d s LEU 124 Cb -0.06 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 44.99 2f1d s LEU 124 CO -0.08 0.01 0.14 -0.83 -1.32 0.00 0.00 176.35 174.27 2f1d s GLY 125 N 1.30 1.87 -0.22 7.98 0.00 -0.33 -5.01 107.32 112.92 2f1d s GLY 125 Ca 0.04 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 42.90 2f1d s GLY 125 CO -0.04 0.82 -0.07 -0.47 0.00 0.00 0.00 173.10 173.34 2f1d s TYR 126 N 1.39 2.43 -0.55 1.90 5.04 -1.26 -0.20 117.35 126.10 2f1d s TYR 126 Ca -0.00 -1.70 0.06 0.00 -2.44 0.00 0.00 57.07 52.99 2f1d s TYR 126 Cb -0.20 -1.61 0.23 0.00 0.35 0.00 0.00 41.96 40.73 2f1d s TYR 126 CO 0.02 -0.76 0.61 0.09 -1.34 0.00 0.00 175.55 174.17 2f1d n ASN 127 N 4.67 2.19 -3.66 4.32 4.13 -1.10 -5.02 115.26 120.80 2f1d n ASN 127 Ca -0.13 -3.09 -0.29 0.00 1.68 0.00 0.00 54.58 52.75 2f1d n ASN 127 Cb 0.45 -0.66 -0.15 0.00 -1.54 0.00 0.00 39.78 37.88 2f1d n ASN 127 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2f1d s LEU 128 N -1.73 1.44 -0.49 3.41 2.96 -1.26 -1.98 118.68 121.03 2f1d s LEU 128 Ca 0.36 -1.40 -0.18 0.00 -0.22 0.00 0.00 54.13 52.68 2f1d s LEU 128 Cb 0.12 -0.63 0.05 0.00 0.50 0.00 0.00 46.19 46.24 2f1d s LEU 128 CO -0.08 -0.41 0.57 -1.83 -1.32 0.00 0.00 176.35 173.28 2f1d s GLU 129 N 1.84 3.11 -0.28 1.98 -1.05 -1.26 -5.05 118.70 117.98 2f1d s GLU 129 Ca 0.08 -0.91 -0.13 0.00 -0.15 0.00 0.00 54.97 53.86 2f1d s GLU 129 Cb -0.17 -4.08 -0.04 0.00 -0.44 0.00 0.00 34.13 29.40 2f1d s GLU 129 CO -0.28 -1.13 0.28 0.42 0.95 0.00 0.00 175.26 175.50 2f1d s ILE 130 N 2.43 5.24 -1.41 1.83 1.01 -1.26 -4.99 121.20 124.05 2f1d s ILE 130 Ca 0.13 0.31 0.19 0.00 0.00 0.00 0.00 60.65 61.29 2f1d s ILE 130 Cb -0.19 -3.63 0.33 0.00 0.01 0.00 0.00 42.46 38.98 2f1d s ILE 130 CO 0.12 0.18 1.59 -0.81 0.00 0.00 0.00 174.94 176.02 2f1d n PRO 131 N 5.20 0.26 -4.27 2.79 -0.04 -1.26 -4.74 135.00 132.94 2f1d n PRO 131 Ca -0.11 0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2f1d n PRO 131 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2f1d n PRO 131 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2f1d s THR 132 N -2.59 1.57 -0.51 0.52 -4.23 -1.26 -5.03 115.64 104.12 2f1d s THR 132 Ca 0.18 -1.48 0.26 0.00 -1.18 0.00 0.00 61.69 59.46 2f1d s THR 132 Cb 0.13 -1.44 0.31 0.00 1.34 0.00 0.00 72.50 72.83 2f1d s THR 132 CO 0.29 -0.09 1.74 1.56 -0.54 0.00 0.00 174.62 177.58 2f1d h GLN 133 N 4.14 0.00 -2.64 3.99 4.20 -1.95 -3.44 115.11 119.40 2f1d h GLN 133 Ca -0.45 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.15 2f1d h GLN 133 Cb 1.18 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.70 2f1d h GLN 133 CO 0.40 0.00 -0.30 1.03 -0.67 0.00 0.00 178.83 179.29 2f1d s ARG 134 N -3.23 0.39 -0.24 1.46 0.52 -1.26 -2.30 118.95 114.28 2f1d s ARG 134 Ca 0.07 0.79 -0.06 0.00 -0.52 0.00 0.00 55.73 56.02 2f1d s ARG 134 Cb 0.09 -0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.53 2f1d s ARG 134 CO 0.58 -0.16 0.03 0.14 0.02 0.00 0.00 175.30 175.91 2f1d s VAL 135 N 1.43 3.90 0.00 3.52 -7.23 -1.20 -4.94 120.40 115.89 2f1d s VAL 135 Ca -0.09 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2f1d s VAL 135 Cb -0.08 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.03 2f1d s VAL 135 CO -0.13 0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 2f1d n GLY 136 N 4.87 3.79 0.43 2.32 0.00 -1.26 -1.87 105.19 113.47 2f1d n GLY 136 Ca -0.17 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 45.88 2f1d n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f1d n THR 137 N 0.00 1.33 -3.23 2.61 -2.24 -1.26 -5.02 114.28 106.47 2f1d n THR 137 Ca 0.00 -1.30 -0.40 0.00 -2.27 0.00 0.00 64.05 60.08 2f1d n THR 137 Cb 0.00 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 2f1d n THR 137 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2f1d s TYR 138 N -1.54 3.26 0.18 4.78 5.04 -0.78 -5.00 117.35 123.29 2f1d s TYR 138 Ca 0.21 0.62 -0.32 0.00 -2.44 0.00 0.00 57.07 55.14 2f1d s TYR 138 Cb 0.14 -2.74 -0.11 0.00 0.35 0.00 0.00 41.96 39.60 2f1d s TYR 138 CO 0.08 -0.30 1.71 0.34 -1.34 0.00 0.00 175.55 176.04 2f1d s ASP 139 N 1.56 6.43 0.41 4.32 -1.08 -1.26 -3.23 116.67 123.82 2f1d s ASP 139 Ca 0.21 2.79 0.22 0.00 -0.52 0.00 0.00 52.55 55.25 2f1d s ASP 139 Cb -0.16 -2.59 0.57 0.00 -1.46 0.00 0.00 42.92 39.28 2f1d s ASP 139 CO 0.09 -0.95 1.68 0.74 0.52 0.00 0.00 175.17 177.25 2f1d h THR 140 N 4.03 0.40 0.00 1.71 2.02 -1.75 -2.92 112.91 116.40 2f1d h THR 140 Ca -0.43 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.43 2f1d h THR 140 Cb 1.20 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 2f1d h THR 140 CO 0.95 0.20 0.00 0.00 0.37 0.00 0.00 175.52 177.04 2f1d n GLN 141 N -3.22 0.00 0.07 6.66 6.02 -1.26 -2.94 117.38 122.72 2f1d n GLN 141 Ca 0.02 0.27 0.12 0.00 -0.01 0.00 0.00 57.00 57.40 2f1d n GLN 141 Cb 0.53 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.45 2f1d n GLN 141 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2f1d h LEU 142 N 0.00 0.00 -0.77 1.08 4.07 -1.91 -3.25 115.31 114.53 2f1d h LEU 142 Ca 0.00 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 57.79 2f1d h LEU 142 Cb 0.23 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 2f1d h LEU 142 CO 0.00 0.09 0.51 0.58 -1.08 0.00 0.00 178.44 178.54 2f1d h VAL 143 N 0.00 1.19 -0.23 1.22 2.07 -1.74 -0.31 116.25 118.46 2f1d h VAL 143 Ca 0.00 -0.36 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 2f1d h VAL 143 Cb 0.78 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2f1d h VAL 143 CO 0.00 0.19 -0.61 -0.08 0.02 0.00 0.00 177.57 177.09 2f1d h GLU 144 N 1.04 0.82 0.00 1.57 4.81 -1.78 -2.92 114.58 118.13 2f1d h GLU 144 Ca 0.28 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2f1d h GLU 144 Cb -0.11 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2f1d h GLU 144 CO -0.06 1.20 -0.11 1.25 -0.73 0.00 0.00 179.01 180.55 2f1d h HIS 145 N 0.58 0.00 0.12 0.92 2.76 -1.57 -0.10 115.15 117.86 2f1d h HIS 145 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2f1d h HIS 145 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 2f1d h HIS 145 CO 0.08 0.11 -0.06 0.35 -1.30 0.00 0.00 177.93 177.11 2f1d h PHE 146 N 0.00 -0.15 -0.12 5.26 3.57 -0.87 -2.14 116.94 122.50 2f1d h PHE 146 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2f1d h PHE 146 Cb 0.54 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2f1d h PHE 146 CO 0.00 0.33 -0.37 0.74 -2.23 0.00 0.00 178.31 176.78 2f1d h PHE 147 N -0.77 0.28 -0.39 0.41 -1.00 -1.49 -1.72 116.94 112.26 2f1d h PHE 147 Ca -0.02 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 2f1d h PHE 147 Cb 0.55 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 2f1d h PHE 147 CO 0.10 0.59 0.12 0.37 -1.61 0.00 0.00 178.31 177.88 2f1d h GLN 148 N 0.21 0.60 -0.00 1.51 5.75 -1.05 -0.55 115.11 121.58 2f1d h GLN 148 Ca 0.02 -0.13 -0.26 0.00 -0.15 0.00 0.00 58.65 58.13 2f1d h GLN 148 Cb 0.76 -0.09 0.02 0.00 1.07 0.00 0.00 27.48 29.24 2f1d h GLN 148 CO 0.06 0.60 -1.03 0.77 -2.65 0.00 0.00 178.83 176.58 2f1d h SER 149 N 0.48 0.88 -0.47 -0.69 0.02 -1.36 -1.64 113.55 110.77 2f1d h SER 149 Ca 0.12 -0.70 0.03 0.00 -0.84 0.00 0.00 61.79 60.40 2f1d h SER 149 Cb 0.25 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2f1d h SER 149 CO -0.00 1.50 0.27 0.25 -1.14 0.00 0.00 176.83 177.70 2f1d h LEU 150 N 0.38 0.43 -0.85 5.07 6.46 -1.31 -2.30 115.31 123.19 2f1d h LEU 150 Ca -0.12 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 2f1d h LEU 150 Cb 1.68 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.49 2f1d h LEU 150 CO 0.20 0.30 0.38 0.58 -0.62 0.00 0.00 178.44 179.29 2f1d h VAL 151 N 0.54 1.26 -0.03 1.05 2.07 -1.06 -2.02 116.25 118.06 2f1d h VAL 151 Ca 0.19 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2f1d h VAL 151 Cb 0.04 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2f1d h VAL 151 CO -0.10 0.32 -0.23 0.78 0.02 0.00 0.00 177.57 178.36 2f1d h ASN 152 N 1.20 0.04 0.06 0.57 2.35 -0.70 -2.23 115.58 116.88 2f1d h ASN 152 Ca 0.29 -0.01 -0.37 0.00 -0.55 0.00 0.00 56.30 55.66 2f1d h ASN 152 Cb 0.15 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 2f1d h ASN 152 CO -0.03 0.28 -2.32 0.35 -1.65 0.00 0.00 177.43 174.06 2f1d n THR 153 N -4.25 1.48 0.27 2.81 -2.24 -1.17 -4.50 114.28 106.68 2f1d n THR 153 Ca -0.02 -0.74 0.13 0.00 -2.27 0.00 0.00 64.05 61.15 2f1d n THR 153 Cb 0.30 -0.93 0.76 0.00 -2.10 0.00 0.00 70.33 68.35 2f1d n THR 153 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2f1d h SER 154 N 0.01 0.00 -2.27 3.42 0.87 -1.18 -3.42 113.55 110.98 2f1d h SER 154 Ca -0.52 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.90 2f1d h SER 154 Cb 2.09 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 64.09 2f1d h SER 154 CO 0.00 0.10 -0.22 0.61 -0.53 0.00 0.00 176.83 176.79 2f1d n GLY 155 N -0.74 0.34 3.48 5.77 0.00 -0.85 -4.76 105.19 108.44 2f1d n GLY 155 Ca -0.02 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2f1d n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2f1d s MET 156 N -5.18 3.33 -0.31 1.61 -2.45 -1.22 -0.34 119.30 114.75 2f1d s MET 156 Ca 0.15 -0.58 -0.23 0.00 -1.25 0.00 0.00 55.69 53.79 2f1d s MET 156 Cb -0.07 -2.74 -0.00 0.00 1.25 0.00 0.00 34.83 33.27 2f1d s MET 156 CO 0.19 0.35 0.74 0.99 1.05 0.00 0.00 175.02 178.34 2f1d s THR 157 N 0.03 4.83 -0.15 10.11 2.01 -0.45 -2.14 115.64 129.89 2f1d s THR 157 Ca -0.01 1.08 -0.02 0.00 0.31 0.00 0.00 61.69 63.05 2f1d s THR 157 Cb -0.14 -4.11 0.05 0.00 0.01 0.00 0.00 72.50 68.31 2f1d s THR 157 CO 0.03 -0.22 0.01 -0.22 -0.69 0.00 0.00 174.62 173.53 2f1d s LEU 158 N 2.86 1.03 -0.18 4.42 2.96 0.23 -1.13 118.68 128.87 2f1d s LEU 158 Ca 0.30 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 2f1d s LEU 158 Cb -0.14 -0.59 -0.05 0.00 0.50 0.00 0.00 46.19 45.91 2f1d s LEU 158 CO 0.12 -0.25 0.11 -1.00 -1.32 0.00 0.00 176.35 174.02 2f1d s HIS 159 N 1.87 3.40 -0.04 5.38 3.76 -0.21 -1.18 115.29 128.27 2f1d s HIS 159 Ca 0.02 0.31 0.06 0.00 -0.15 0.00 0.00 55.06 55.30 2f1d s HIS 159 Cb -0.15 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.44 2f1d s HIS 159 CO -0.07 0.35 -0.23 0.42 -0.85 0.00 0.00 174.74 174.36 2f1d s ILE 160 N 0.06 1.89 -0.10 0.60 1.01 0.72 -1.37 121.20 124.01 2f1d s ILE 160 Ca 0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 2f1d s ILE 160 Cb -0.11 -1.58 0.05 0.00 0.01 0.00 0.00 42.46 40.82 2f1d s ILE 160 CO -0.00 0.53 0.12 -0.13 0.00 0.00 0.00 174.94 175.45 2f1d s ARG 161 N -0.31 0.01 -0.31 2.79 0.52 0.11 -2.72 118.95 119.04 2f1d s ARG 161 Ca 0.02 0.33 -0.28 0.00 -0.52 0.00 0.00 55.73 55.29 2f1d s ARG 161 Cb -0.11 -0.76 0.01 0.00 0.52 0.00 0.00 34.95 34.61 2f1d s ARG 161 CO 0.01 -0.42 1.01 -1.14 0.02 0.00 0.00 175.30 174.78 2f1d s GLN 162 N 2.22 4.06 -0.00 3.54 0.74 -0.84 -0.98 119.66 128.40 2f1d s GLN 162 Ca 0.04 0.99 0.18 0.00 0.05 0.00 0.00 55.36 56.62 2f1d s GLN 162 Cb -0.13 -3.73 -0.21 0.00 1.10 0.00 0.00 33.01 30.04 2f1d s GLN 162 CO -0.06 -0.83 0.71 1.28 -0.55 0.00 0.00 175.29 175.84 2f1d n LEU 163 N 6.67 0.71 -3.64 3.68 4.77 -0.47 -4.99 117.00 123.73 2f1d n LEU 163 Ca 0.10 -0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 55.64 2f1d n LEU 163 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2f1d n LEU 163 CO 0.57 0.18 1.14 0.00 -1.33 0.00 0.00 177.39 177.94 2f1d s ALA 164 N -2.82 -2.16 0.00 -1.18 0.00 -1.16 -4.89 121.76 109.56 2f1d s ALA 164 Ca 0.04 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2f1d s ALA 164 Cb 0.13 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2f1d s ALA 164 CO 0.75 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.75 2f1d n GLY 165 N 1.11 3.76 0.83 0.00 0.00 -1.22 -2.02 105.19 107.65 2f1d n GLY 165 Ca -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 2f1d n GLY 165 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f1d n GLU 166 N -0.42 0.12 -2.20 1.61 1.02 -1.26 -5.02 120.64 114.50 2f1d n GLU 166 Ca 0.00 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 2f1d n GLU 166 Cb 0.00 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.68 2f1d n GLU 166 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2f1d s ASN 167 N -5.98 6.83 0.26 1.62 3.84 -1.26 -4.67 114.94 115.58 2f1d s ASN 167 Ca -0.07 2.15 0.01 0.00 0.21 0.00 0.00 52.86 55.17 2f1d s ASN 167 Cb 0.01 -2.56 0.34 0.00 -0.55 0.00 0.00 41.25 38.49 2f1d s ASN 167 CO 0.10 -0.73 1.67 0.28 -2.79 0.00 0.00 177.10 175.63 2f1d h SER 168 N 7.84 0.50 -0.36 -4.21 0.02 -1.98 -2.28 113.55 113.08 2f1d h SER 168 Ca -0.38 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2f1d h SER 168 Cb 1.18 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2f1d h SER 168 CO 0.90 0.80 0.22 -0.74 -1.14 0.00 0.00 176.83 176.87 2f1d h HIS 169 N 0.42 0.47 -0.73 3.45 -0.00 -1.97 -3.07 115.15 113.72 2f1d h HIS 169 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.43 2f1d h HIS 169 Cb 0.77 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.99 2f1d h HIS 169 CO 0.03 0.33 0.49 0.45 -0.00 0.00 0.00 177.93 179.22 2f1d h HIS 170 N 0.48 0.92 -0.31 5.26 3.86 -1.83 -2.34 115.15 121.19 2f1d h HIS 170 Ca 0.13 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 2f1d h HIS 170 Cb -0.01 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 2f1d h HIS 170 CO -0.04 0.58 -0.06 0.82 0.86 0.00 0.00 177.93 180.09 2f1d h ILE 171 N 0.99 1.27 -0.13 2.45 2.04 -1.38 -0.36 117.51 122.39 2f1d h ILE 171 Ca 0.27 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 2f1d h ILE 171 Cb -0.11 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2f1d h ILE 171 CO -0.06 0.35 -0.06 0.40 0.00 0.00 0.00 178.15 178.78 2f1d h ILE 172 N 0.37 1.32 -0.45 -0.67 2.04 -1.52 -2.25 117.51 116.34 2f1d h ILE 172 Ca 0.08 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.89 2f1d h ILE 172 Cb 0.54 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2f1d h ILE 172 CO 0.03 0.32 0.22 -0.08 0.00 0.00 0.00 178.15 178.63 2f1d h GLU 173 N -0.07 0.42 -0.04 2.37 4.81 -1.37 -1.74 114.58 118.95 2f1d h GLU 173 Ca 0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2f1d h GLU 173 Cb 0.52 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2f1d h GLU 173 CO 0.02 0.28 -0.09 0.00 -0.73 0.00 0.00 179.01 178.48 2f1d h ALA 174 N 1.25 1.77 -0.01 2.92 0.00 -1.03 -1.57 119.26 122.59 2f1d h ALA 174 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2f1d h ALA 174 Cb 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2f1d h ALA 174 CO -0.15 0.18 0.00 1.15 0.00 0.00 0.00 179.25 180.43 2f1d h THR 175 N 0.06 1.24 0.00 0.00 2.02 -0.71 -2.05 112.91 113.46 2f1d h THR 175 Ca 0.01 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2f1d h THR 175 Cb 0.21 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2f1d h THR 175 CO 0.01 0.18 -0.05 -0.26 0.37 0.00 0.00 175.52 175.77 2f1d h PHE 176 N -0.28 0.00 0.02 3.16 -1.00 -0.93 -0.67 116.94 117.24 2f1d h PHE 176 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2f1d h PHE 176 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 2f1d h PHE 176 CO 0.03 0.05 -0.01 0.87 -1.61 0.00 0.00 178.31 177.64 2f1d h LYS 177 N 0.00 -0.03 -0.24 1.51 1.57 -1.11 -2.55 116.57 115.72 2f1d h LYS 177 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2f1d h LYS 177 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2f1d h LYS 177 CO 0.01 0.66 -0.23 0.00 -0.57 0.00 0.00 179.45 179.32 2f1d h ALA 178 N 0.16 1.16 -0.16 3.86 0.00 -1.25 -2.37 119.26 120.66 2f1d h ALA 178 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2f1d h ALA 178 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2f1d h ALA 178 CO 0.00 0.53 -0.01 0.35 0.00 0.00 0.00 179.25 180.13 2f1d h PHE 179 N 0.41 0.31 -0.56 0.00 3.57 -1.22 -2.49 116.94 116.95 2f1d h PHE 179 Ca 0.06 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2f1d h PHE 179 Cb 0.62 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2f1d h PHE 179 CO 0.02 0.51 0.36 0.00 -2.23 0.00 0.00 178.31 176.96 2f1d h ALA 180 N 0.76 0.71 0.00 2.41 0.00 -1.38 0.22 119.26 121.99 2f1d h ALA 180 Ca 0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2f1d h ALA 180 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2f1d h ALA 180 CO 0.01 0.17 -0.57 0.00 0.00 0.00 0.00 179.25 178.86 2f1d h ARG 181 N 0.76 0.00 0.08 0.00 3.08 -1.43 -2.02 114.38 114.85 2f1d h ARG 181 Ca 0.20 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.98 2f1d h ARG 181 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2f1d h ARG 181 CO -0.04 0.57 -1.36 0.00 -1.07 0.00 0.00 179.97 178.07 2f1d h ALA 182 N 1.43 0.30 -0.29 0.04 0.00 -1.24 -2.55 119.26 116.96 2f1d h ALA 182 Ca -0.01 -1.05 -0.00 0.00 0.00 0.00 0.00 54.91 53.85 2f1d h ALA 182 Cb 1.16 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2f1d h ALA 182 CO 0.07 1.17 0.17 1.25 0.00 0.00 0.00 179.25 181.92 2f1d h LEU 183 N 0.05 0.34 -0.02 0.00 6.46 -0.33 -1.40 115.31 120.40 2f1d h LEU 183 Ca -0.17 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2f1d h LEU 183 Cb 1.95 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.80 2f1d h LEU 183 CO 0.16 0.26 -0.07 -0.09 -0.62 0.00 0.00 178.44 178.08 2f1d h ARG 184 N 0.39 0.08 -0.95 1.25 2.43 -1.33 -1.73 114.38 114.52 2f1d h ARG 184 Ca 0.10 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 2f1d h ARG 184 Cb -0.01 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.47 2f1d h ARG 184 CO -0.02 0.70 0.58 0.37 -1.51 0.00 0.00 179.97 180.09 2f1d h GLN 185 N -0.52 0.93 0.04 0.20 4.15 -1.13 -1.92 115.11 116.85 2f1d h GLN 185 Ca -0.00 -0.06 -0.25 0.00 0.77 0.00 0.00 58.65 59.11 2f1d h GLN 185 Cb 0.70 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 28.19 2f1d h GLN 185 CO 0.01 0.61 -1.05 0.00 -1.93 0.00 0.00 178.83 176.48 2f1d h ALA 186 N 1.50 0.23 0.00 3.38 0.00 -1.26 -3.29 119.26 119.82 2f1d h ALA 186 Ca 0.46 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2f1d h ALA 186 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2f1d h ALA 186 CO -0.25 0.80 0.00 1.79 0.00 0.00 0.00 179.25 181.59 2f1d h THR 187 N 0.24 0.00 -4.25 0.00 1.35 -0.89 -2.05 112.91 107.30 2f1d h THR 187 Ca -0.11 -0.74 -0.46 0.00 -0.55 0.00 0.00 66.41 64.55 2f1d h THR 187 Cb 1.71 1.72 0.13 0.00 -1.73 0.00 0.00 68.15 69.97 2f1d h THR 187 CO 0.19 0.00 0.32 -1.61 -0.25 0.00 0.00 175.52 174.16 2f1d s GLU 188 N -3.25 1.13 -0.06 4.72 2.02 -0.76 -4.74 118.70 117.76 2f1d s GLU 188 Ca 0.07 0.20 -0.22 0.00 0.02 0.00 0.00 54.97 55.04 2f1d s GLU 188 Cb 0.08 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 2f1d s GLU 188 CO 0.61 -2.19 0.64 0.95 0.02 0.00 0.00 175.26 175.29 2f1d s THR 189 N -3.35 5.04 -0.24 3.63 -4.23 -1.26 -1.72 115.64 113.50 2f1d s THR 189 Ca 0.64 1.31 -0.23 0.00 -1.18 0.00 0.00 61.69 62.24 2f1d s THR 189 Cb -0.13 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.72 2f1d s THR 189 CO 0.53 0.31 0.74 -0.62 -0.54 0.00 0.00 174.62 175.03 2f1d s ASP 190 N 0.53 6.73 -0.86 3.99 2.15 -0.96 -4.85 116.67 123.40 2f1d s ASP 190 Ca 0.34 0.90 -0.24 0.00 0.43 0.00 0.00 52.55 53.98 2f1d s ASP 190 Cb -0.17 -2.39 -0.18 0.00 -0.30 0.00 0.00 42.92 39.87 2f1d s ASP 190 CO 0.17 -0.44 2.27 -2.65 -0.17 0.00 0.00 175.17 174.34 2f1d n PRO 191 N 5.80 0.37 0.00 4.34 -0.02 -1.26 -4.83 135.00 139.40 2f1d n PRO 191 Ca 0.03 -0.97 0.14 0.00 -2.02 0.00 0.00 63.50 60.68 2f1d n PRO 191 Cb 0.48 -3.43 0.61 0.00 -0.02 0.00 0.00 33.50 31.14 2f1d n PRO 191 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02